2-Methyloctan-2-ol

2-Octanol, 2-methyl-

HCID 69406CAS 628-44-4

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Grundinformationen

Standard-SMILES: CCCCCCC(C)(C)O
InChIKey: KBCNUEXDHWDIFX-UHFFFAOYSA-N
Summenformel: C9H20O
Durchschnittliche Molmasse: 144,25 g/mol
Monoisotopische Masse: 144,15141526

Namen und Bezeichner

Bevorzugter Name: 2-Octanol, 2-methyl-
IUPAC: 2-methyloctan-2-ol
Lokaler Name: 2-Methyloctan-2-ol
Englischer Name: 2-Methyl-2-octanol
Summenformel: C9H20O
Molmasse: 144.25

Namen und Synonyme

2-Methyl-2-octanol628-44-42-Octanol, 2-methyl-1,1-Dimethylheptyl alcoholI38JIM8KS0EINECS 211-044-7NSC 21984NSC-21984UNII-I38JIM8KS0N-HEXYLDIMETHYLCARBINOLAI3-24901DTXSID5060855

Weitere Namen anzeigen

2-methyl-2-octylol2-Methyloctane-2-ol5-[(E)-2-phenylethenyl]-1,3-benzodioxole

2Methyloctan2ol2Octanol, 2methylRefChem:88853DTXCID1043548211-044-7KBCNUEXDHWDIFX-UHFFFAOYSA-N2-Methyloctan-2-olMFCD00021849

Datenbank-Bezeichner

CAS: 628-44-4
PubChem CID: 69406
DTXSID: DTXSID5060855
UNII: I38JIM8KS0
EC Number: 211-044-7
Nikkaji: J96.509J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 10
Formalladung: 0
Komplexität: 76,8

Experimentelle und physikochemische Eigenschaften

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: 6.15 °C · 6.15°C (estimate)
Siedepunkt: 178 °C · 178°C
Dichte: 0.8158 · 0.8158
Brechungsindex: 1.426 · 1.4260
storage temp.: Refrigerator
Löslichkeit: Chloroform, Ethyl Acetate, DMSO
Aggregatzustand: Oil
Farbe: Clear Colorless
Henry's Law Constant: 5.7 · 5.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 3.132 · 3.132 (est)
EPA chemische Informationen: 2 · 2-Octanol, 2-methyl- (628-44-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2-Octanol, 2-methyl-

2-Octanol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Octanol, 2-methyl-: Environment tier I assessment

Hazards SummaryA skin and eye irritant; [ChemSampCo MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Octanol, 2-methyl-: INACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Methyl-2-octanol is a useful synthetic intermediate. It can be used as an intermediate to synthesize 4-(1,1-Dimethylheptyl)phenol Diethoxylate (D472850) which is capable of stimulating vitellogenin gene expression in trout hepatocytes, gene transcription in transfected cells, and the growth of breast cancer cell lines.